CID 521161

4445-09-4

Structural Information

Molecular Formula

C₁₈H₃₉BO₂

SMILES

B(CCCCCCCCCCCCCCCCCC)(O)O

InChI

InChI=1S/C18H39BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h20-21H,2-18H2,1H3

InChIKey

HGDBMZFQJKWYNK-UHFFFAOYSA-N

Compound name

octadecylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
Patents: 298.30432 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	299.31160	184.0
[M+Na]+	321.29354	184.7
[M-H]-	297.29704	178.9
[M+NH4]+	316.33814	198.0
[M+K]+	337.26748	180.7
[M+H-H2O]+	281.30158	177.3
[M+HCOO]-	343.30252	200.0
[M+CH3COO]-	357.31817	205.1
[M+Na-2H]-	319.27899	181.9
[M]+	298.30377	188.5
[M]-	298.30487	188.5

Literature stripe

literature stripe

Patent stripe

patents stripe